N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]benzamide

Details

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Internal ID fe645176-eb6e-4edb-aa92-749fe1e24e17
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]benzamide
SMILES (Canonical) COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC)OC
InChI InChI=1S/C18H21NO4/c1-21-15-10-9-14(11-16(15)22-2)17(23-3)12-19-18(20)13-7-5-4-6-8-13/h4-11,17H,12H2,1-3H3,(H,19,20)
InChI Key QWKLDNBJGNJEBU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H21NO4
Molecular Weight 315.40 g/mol
Exact Mass 315.14705815 g/mol
Topological Polar Surface Area (TPSA) 56.80 Ų
XlogP 2.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]benzamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL1255126 O15151 Protein Mdm4 97.50% 90.20%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.62% 96.09%
CHEMBL2535 P11166 Glucose transporter 93.34% 98.75%
CHEMBL2581 P07339 Cathepsin D 92.57% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.29% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 92.21% 96.00%
CHEMBL4208 P20618 Proteasome component C5 89.48% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.79% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.70% 95.56%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 87.71% 87.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.58% 86.33%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 86.19% 81.11%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 84.14% 100.00%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.03% 91.07%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 82.79% 96.67%
CHEMBL5028 O14672 ADAM10 81.49% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Zanthoxylum fagara

Cross-Links

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PubChem 162918611
LOTUS LTS0129746
wikiData Q105229238